| Chain sequence(s) | GVGNASGDWHCDSTWSEGHVTTTSTRTWVLPTYNNHLYKRLGESLQSNTYNGFSTPWGYFDFNRFHCHFSPRDWQRLINNNWGMRPKAMRVKIFNIQVKEVTTSNGETTVANNLTSTVQIFADSSYELPYVMDAGQEGSLPPFPNDVFMVPQYGYCGLVTGNTSQQQTDRNAFYCLEYFPSQMLRTGNNFEITYSFEKVPFHSMYAHSQSLDRLMNPLIDQYLWGLQSTTTGTTLNAGTATTNFTKLRPTNFSNFKKNWLPGPSIKQQGFSKTANQNYKIPATGSDSLIKYETHSTLDGRWSALTPGPPMATAGPADSKFSNSQLIFAGPKQNGNTATVPGTLIFTSEEELAATNATDTDMWGNLPGGDQSNSNLPTVDRLTALGAVPGMVWQNRDIYYQGPIWAKIPHTDGHFHPSPLIGGFGLKHPPPQIFIKNTPVPANPATTFSSTPVNSFITQYSTGQVSVQIDWEIQKERSKRWNPEVQFTSNYGQQNSLLWAPDAAGKYTEPRAIGTRYLTHHL input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:22)
[INFO] FoldX: Starting FoldX energy minimization (00:00:22)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:48)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b1eaa92bd15da5/tmp/folded.pdb (00:06:48)
[INFO] Main: Simulation completed successfully. (00:15:16)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 18 | G | A | -0.4265 | |
| 19 | V | A | 0.7611 | |
| 20 | G | A | -0.4041 | |
| 21 | N | A | -1.2412 | |
| 22 | A | A | -1.0796 | |
| 23 | S | A | -1.0907 | |
| 24 | G | A | -1.4048 | |
| 25 | D | A | -1.6633 | |
| 26 | W | A | -0.5993 | |
| 27 | H | A | -1.3731 | |
| 28 | C | A | -1.0871 | |
| 29 | D | A | -1.8821 | |
| 30 | S | A | -1.0264 | |
| 31 | T | A | -0.5674 | |
| 32 | W | A | -0.6225 | |
| 33 | S | A | -1.2068 | |
| 34 | E | A | -2.2829 | |
| 35 | G | A | -1.6394 | |
| 36 | H | A | -1.5651 | |
| 37 | V | A | 0.0000 | |
| 38 | T | A | -0.7997 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | -1.0440 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.2780 | |
| 45 | W | A | 0.0000 | |
| 46 | V | A | 1.0176 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.1056 | |
| 49 | T | A | -0.2237 | |
| 50 | Y | A | -0.1832 | |
| 51 | N | A | -0.5693 | |
| 52 | N | A | -1.0910 | |
| 53 | H | A | -0.2346 | |
| 54 | L | A | 0.5067 | |
| 55 | Y | A | -0.0099 | |
| 56 | K | A | -1.2462 | |
| 57 | R | A | -1.1720 | |
| 58 | L | A | -0.6536 | |
| 59 | G | A | -1.0893 | |
| 60 | E | A | -1.6586 | |
| 61 | S | A | -1.3173 | |
| 62 | L | A | -0.8704 | |
| 63 | Q | A | -1.7320 | |
| 64 | S | A | -1.2056 | |
| 65 | N | A | -1.6695 | |
| 66 | T | A | 0.0000 | |
| 67 | Y | A | -0.2716 | |
| 68 | N | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | F | A | -0.0483 | |
| 71 | S | A | -0.3333 | |
| 72 | T | A | 0.0000 | |
| 73 | P | A | 0.0000 | |
| 74 | W | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | Y | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | D | A | 0.0000 | |
| 79 | F | A | 0.0000 | |
| 80 | N | A | 0.0000 | |
| 81 | R | A | -0.6784 | |
| 82 | F | A | 0.0000 | |
| 83 | H | A | 0.0000 | |
| 84 | C | A | 0.0000 | |
| 85 | H | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | S | A | -1.0760 | |
| 88 | P | A | -1.2870 | |
| 89 | R | A | -2.4260 | |
| 90 | D | A | 0.0000 | |
| 91 | W | A | 0.0000 | |
| 92 | Q | A | -2.0726 | |
| 93 | R | A | -2.4395 | |
| 94 | L | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | N | A | -0.9734 | |
| 97 | N | A | -1.7178 | |
| 98 | N | A | 0.0000 | |
| 99 | W | A | -0.7348 | |
| 100 | G | A | 0.0000 | |
| 101 | M | A | 0.0000 | |
| 102 | R | A | -1.2216 | |
| 103 | P | A | 0.0000 | |
| 104 | K | A | -2.1415 | |
| 105 | A | A | -1.3526 | |
| 106 | M | A | 0.0000 | |
| 107 | R | A | -1.8777 | |
| 108 | V | A | 0.0000 | |
| 109 | K | A | -1.2804 | |
| 110 | I | A | 0.0000 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.1551 | |
| 113 | I | A | 0.0000 | |
| 114 | Q | A | -0.9025 | |
| 115 | V | A | 0.0000 | |
| 116 | K | A | -0.4570 | |
| 117 | E | A | -0.0645 | |
| 118 | V | A | 0.4711 | |
| 119 | T | A | -0.0593 | |
| 120 | T | A | -0.9865 | |
| 121 | S | A | -1.6388 | |
| 122 | N | A | -2.1917 | |
| 123 | G | A | -2.0704 | |
| 124 | E | A | -2.5870 | |
| 125 | T | A | -0.9841 | |
| 126 | T | A | 0.0723 | |
| 127 | V | A | 1.0509 | |
| 128 | A | A | 0.0449 | |
| 129 | N | A | -1.0448 | |
| 130 | N | A | -0.4993 | |
| 131 | L | A | 0.5087 | |
| 132 | T | A | 0.1717 | |
| 133 | S | A | 0.0000 | |
| 134 | T | A | 0.0000 | |
| 135 | V | A | 0.0000 | |
| 136 | Q | A | -0.6203 | |
| 137 | I | A | 0.0000 | |
| 138 | F | A | 0.0000 | |
| 139 | A | A | -0.2224 | |
| 140 | D | A | 0.0000 | |
| 141 | S | A | -0.6190 | |
| 142 | S | A | -0.8960 | |
| 143 | Y | A | -1.0499 | |
| 144 | E | A | -1.7025 | |
| 145 | L | A | 0.0000 | |
| 146 | P | A | -0.1048 | |
| 147 | Y | A | -0.0607 | |
| 148 | V | A | 0.0908 | |
| 149 | M | A | 0.0000 | |
| 150 | D | A | -0.5863 | |
| 151 | A | A | -0.7630 | |
| 152 | G | A | -1.4401 | |
| 153 | Q | A | -2.3303 | |
| 154 | E | A | -2.5561 | |
| 155 | G | A | -1.2014 | |
| 156 | S | A | -0.8639 | |
| 157 | L | A | 0.0000 | |
| 158 | P | A | -0.3768 | |
| 159 | P | A | -0.4571 | |
| 160 | F | A | -0.5327 | |
| 161 | P | A | -0.7445 | |
| 162 | N | A | -1.5644 | |
| 163 | D | A | -1.4917 | |
| 164 | V | A | 0.9865 | |
| 165 | F | A | 0.9441 | |
| 166 | M | A | 1.3119 | |
| 167 | V | A | 0.0000 | |
| 168 | P | A | -0.4259 | |
| 169 | Q | A | -0.3842 | |
| 170 | Y | A | 0.0000 | |
| 171 | G | A | -0.1927 | |
| 172 | Y | A | 0.0000 | |
| 173 | C | A | 0.9069 | |
| 174 | G | A | 0.6642 | |
| 175 | L | A | 0.1366 | |
| 176 | V | A | 0.0000 | |
| 177 | T | A | -0.8233 | |
| 178 | G | A | -1.2122 | |
| 179 | N | A | -1.4462 | |
| 180 | T | A | -1.2143 | |
| 181 | S | A | -1.1394 | |
| 182 | Q | A | -1.4324 | |
| 183 | Q | A | -1.6662 | |
| 184 | Q | A | -1.7002 | |
| 185 | T | A | -1.9562 | |
| 186 | D | A | -2.7529 | |
| 187 | R | A | -2.5496 | |
| 188 | N | A | -1.2128 | |
| 189 | A | A | 0.3292 | |
| 190 | F | A | 1.7259 | |
| 191 | Y | A | 1.2871 | |
| 192 | C | A | 0.9700 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.3279 | |
| 195 | Y | A | 0.9744 | |
| 196 | F | A | 0.1477 | |
| 197 | P | A | -0.2941 | |
| 198 | S | A | -0.6523 | |
| 199 | Q | A | -1.2006 | |
| 200 | M | A | -0.6177 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.1206 | |
| 203 | T | A | -0.9217 | |
| 204 | G | A | -0.9183 | |
| 205 | N | A | -1.3957 | |
| 206 | N | A | -1.5987 | |
| 207 | F | A | -0.9598 | |
| 208 | E | A | -1.3483 | |
| 209 | I | A | -0.6799 | |
| 210 | T | A | -0.8157 | |
| 211 | Y | A | -0.5784 | |
| 212 | S | A | -1.2094 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -2.0880 | |
| 215 | K | A | -2.2847 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.5674 | |
| 218 | F | A | -0.2180 | |
| 219 | H | A | -0.1420 | |
| 220 | S | A | -0.1009 | |
| 221 | M | A | 0.0000 | |
| 222 | Y | A | -0.0304 | |
| 223 | A | A | -0.3825 | |
| 224 | H | A | -0.4803 | |
| 225 | S | A | -0.7231 | |
| 226 | Q | A | -1.0243 | |
| 227 | S | A | -0.9082 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | -1.8280 | |
| 230 | R | A | -1.6374 | |
| 231 | L | A | -0.6732 | |
| 232 | M | A | -0.5275 | |
| 233 | N | A | -0.3959 | |
| 234 | P | A | 0.0981 | |
| 235 | L | A | 1.5351 | |
| 236 | I | A | 1.5280 | |
| 237 | D | A | 0.1066 | |
| 238 | Q | A | 0.0860 | |
| 239 | Y | A | 1.3939 | |
| 240 | L | A | 0.7840 | |
| 241 | W | A | 1.1725 | |
| 242 | G | A | 0.5247 | |
| 243 | L | A | 0.8061 | |
| 244 | Q | A | -0.5073 | |
| 245 | S | A | -0.4192 | |
| 246 | T | A | -0.3179 | |
| 247 | T | A | -0.6716 | |
| 248 | T | A | -0.6277 | |
| 249 | G | A | -0.6111 | |
| 250 | T | A | -0.2084 | |
| 251 | T | A | 0.1112 | |
| 252 | L | A | 0.9171 | |
| 253 | N | A | -0.6194 | |
| 254 | A | A | -0.4647 | |
| 255 | G | A | -0.6931 | |
| 256 | T | A | -0.5333 | |
| 257 | A | A | -0.5949 | |
| 258 | T | A | -0.2480 | |
| 259 | T | A | -0.1803 | |
| 260 | N | A | -0.2896 | |
| 261 | F | A | 1.4788 | |
| 262 | T | A | 0.3868 | |
| 263 | K | A | -0.1190 | |
| 264 | L | A | 0.0000 | |
| 265 | R | A | -1.2986 | |
| 266 | P | A | -0.5552 | |
| 267 | T | A | -0.7204 | |
| 268 | N | A | -1.2114 | |
| 269 | F | A | -1.4117 | |
| 270 | S | A | -1.4131 | |
| 271 | N | A | -1.9760 | |
| 272 | F | A | 0.0000 | |
| 273 | K | A | -2.4006 | |
| 274 | K | A | -2.3264 | |
| 275 | N | A | -1.7143 | |
| 276 | W | A | -0.2873 | |
| 277 | L | A | 0.4735 | |
| 278 | P | A | 0.5167 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.4479 | |
| 281 | S | A | 0.0000 | |
| 282 | I | A | 0.4900 | |
| 283 | K | A | -0.5495 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -0.9290 | |
| 286 | G | A | -0.8458 | |
| 287 | F | A | -0.2970 | |
| 288 | S | A | -1.0241 | |
| 289 | K | A | -0.8927 | |
| 290 | T | A | -0.8752 | |
| 291 | A | A | -0.9303 | |
| 292 | N | A | -1.9916 | |
| 293 | Q | A | -1.9999 | |
| 294 | N | A | -1.0729 | |
| 295 | Y | A | -0.0430 | |
| 296 | K | A | -1.2751 | |
| 297 | I | A | -0.3254 | |
| 298 | P | A | -0.3768 | |
| 299 | A | A | -0.1724 | |
| 300 | T | A | -0.4388 | |
| 301 | G | A | -0.9431 | |
| 302 | S | A | -0.9981 | |
| 303 | D | A | -1.2162 | |
| 304 | S | A | -0.4888 | |
| 305 | L | A | 0.1264 | |
| 306 | I | A | 0.2940 | |
| 307 | K | A | -0.5306 | |
| 308 | Y | A | 0.0046 | |
| 309 | E | A | -0.3336 | |
| 310 | T | A | -0.2119 | |
| 311 | H | A | -0.0855 | |
| 312 | S | A | 0.1420 | |
| 313 | T | A | 0.1206 | |
| 314 | L | A | 0.4009 | |
| 315 | D | A | -1.3831 | |
| 316 | G | A | -1.1341 | |
| 317 | R | A | -0.9829 | |
| 318 | W | A | -0.2406 | |
| 319 | S | A | -0.0210 | |
| 320 | A | A | 0.0237 | |
| 321 | L | A | 0.1545 | |
| 322 | T | A | 0.0598 | |
| 323 | P | A | 0.0000 | |
| 324 | G | A | 0.0000 | |
| 325 | P | A | 0.2948 | |
| 326 | P | A | 0.2006 | |
| 327 | M | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | A | A | -1.1412 | |
| 331 | G | A | -1.2719 | |
| 332 | P | A | -0.9286 | |
| 333 | A | A | -0.9152 | |
| 334 | D | A | -1.7823 | |
| 335 | S | A | -1.4280 | |
| 336 | K | A | -1.3935 | |
| 337 | F | A | -0.5687 | |
| 338 | S | A | 0.0000 | |
| 339 | N | A | -0.2486 | |
| 340 | S | A | 0.0000 | |
| 341 | Q | A | 0.0000 | |
| 342 | L | A | 0.0000 | |
| 343 | I | A | 1.3782 | |
| 344 | F | A | 0.8992 | |
| 345 | A | A | -0.3090 | |
| 346 | G | A | -0.6909 | |
| 347 | P | A | -1.3877 | |
| 348 | K | A | -2.2225 | |
| 349 | Q | A | -1.7104 | |
| 350 | N | A | -2.3410 | |
| 351 | G | A | -1.7544 | |
| 352 | N | A | -1.8329 | |
| 353 | T | A | -0.8692 | |
| 354 | A | A | -0.1021 | |
| 355 | T | A | 0.6959 | |
| 356 | V | A | 1.5407 | |
| 357 | P | A | 0.6685 | |
| 358 | G | A | -0.0950 | |
| 359 | T | A | -0.3610 | |
| 360 | L | A | 0.5320 | |
| 361 | I | A | 0.5127 | |
| 362 | F | A | 0.0000 | |
| 363 | T | A | 0.0000 | |
| 364 | S | A | -0.6890 | |
| 365 | E | A | 0.0000 | |
| 366 | E | A | -2.0075 | |
| 367 | E | A | -1.1690 | |
| 368 | L | A | 0.0000 | |
| 369 | A | A | -0.5970 | |
| 370 | A | A | -0.6230 | |
| 371 | T | A | 0.0000 | |
| 372 | N | A | 0.0000 | |
| 373 | A | A | -0.1773 | |
| 374 | T | A | -0.7545 | |
| 375 | D | A | 0.0000 | |
| 376 | T | A | -1.1009 | |
| 377 | D | A | -1.9419 | |
| 378 | M | A | -1.0559 | |
| 379 | W | A | -0.3964 | |
| 380 | G | A | -0.8947 | |
| 381 | N | A | -1.3230 | |
| 382 | L | A | -0.4699 | |
| 383 | P | A | -1.0500 | |
| 384 | G | A | -1.4759 | |
| 385 | G | A | -1.7868 | |
| 386 | D | A | -2.8262 | |
| 387 | Q | A | -2.7103 | |
| 388 | S | A | -2.1020 | |
| 389 | N | A | -1.9686 | |
| 390 | S | A | -1.3762 | |
| 391 | N | A | -1.9315 | |
| 392 | L | A | -0.1871 | |
| 393 | P | A | -0.7056 | |
| 394 | T | A | -0.2752 | |
| 395 | V | A | 0.0754 | |
| 396 | D | A | -2.1006 | |
| 397 | R | A | -2.5698 | |
| 398 | L | A | -1.0739 | |
| 399 | T | A | -0.8405 | |
| 400 | A | A | 0.0021 | |
| 401 | L | A | 0.4133 | |
| 402 | G | A | 0.0094 | |
| 403 | A | A | 0.4734 | |
| 404 | V | A | 0.6262 | |
| 405 | P | A | 0.1949 | |
| 406 | G | A | -0.1189 | |
| 407 | M | A | 0.5908 | |
| 408 | V | A | 1.0137 | |
| 409 | W | A | 0.5892 | |
| 410 | Q | A | 0.0000 | |
| 411 | N | A | -0.2165 | |
| 412 | R | A | 0.0000 | |
| 413 | D | A | 0.0000 | |
| 414 | I | A | 0.0000 | |
| 415 | Y | A | 0.0000 | |
| 416 | Y | A | 0.0000 | |
| 417 | Q | A | 0.0000 | |
| 418 | G | A | 0.0000 | |
| 419 | P | A | -0.4602 | |
| 420 | I | A | 0.0000 | |
| 421 | W | A | 0.0000 | |
| 422 | A | A | -0.4770 | |
| 423 | K | A | -1.1553 | |
| 424 | I | A | 0.0000 | |
| 425 | P | A | -1.4582 | |
| 426 | H | A | -1.9382 | |
| 427 | T | A | -1.7872 | |
| 428 | D | A | -2.4379 | |
| 429 | G | A | -1.4949 | |
| 430 | H | A | -0.7570 | |
| 431 | F | A | 1.1670 | |
| 432 | H | A | 0.0871 | |
| 433 | P | A | -0.2295 | |
| 434 | S | A | -0.0056 | |
| 435 | P | A | 0.2316 | |
| 436 | L | A | 0.9399 | |
| 437 | I | A | 0.7909 | |
| 438 | G | A | 0.0000 | |
| 439 | G | A | -0.0368 | |
| 440 | F | A | 0.0000 | |
| 441 | G | A | -0.7504 | |
| 442 | L | A | 0.0000 | |
| 443 | K | A | -2.1023 | |
| 444 | H | A | -1.8093 | |
| 445 | P | A | 0.0000 | |
| 446 | P | A | 0.0000 | |
| 447 | P | A | 0.0000 | |
| 448 | Q | A | 0.0000 | |
| 449 | I | A | 0.0000 | |
| 450 | F | A | 0.0000 | |
| 451 | I | A | 0.0000 | |
| 452 | K | A | 0.0000 | |
| 453 | N | A | 0.0000 | |
| 454 | T | A | 0.0757 | |
| 455 | P | A | 0.0385 | |
| 456 | V | A | 0.4161 | |
| 457 | P | A | 0.0422 | |
| 458 | A | A | -0.3248 | |
| 459 | N | A | -1.2727 | |
| 460 | P | A | -0.5365 | |
| 461 | A | A | 0.1212 | |
| 462 | T | A | 0.1219 | |
| 463 | T | A | 0.7649 | |
| 464 | F | A | 1.7110 | |
| 465 | S | A | 0.7262 | |
| 466 | S | A | 0.2336 | |
| 467 | T | A | 0.0984 | |
| 468 | P | A | 0.0359 | |
| 469 | V | A | 0.7119 | |
| 470 | N | A | -0.6585 | |
| 471 | S | A | -0.4961 | |
| 472 | F | A | 0.1382 | |
| 473 | I | A | 0.5874 | |
| 474 | T | A | 0.1471 | |
| 475 | Q | A | 0.0000 | |
| 476 | Y | A | 0.3501 | |
| 477 | S | A | 0.0000 | |
| 478 | T | A | 0.1611 | |
| 479 | G | A | 0.0000 | |
| 480 | Q | A | -0.3660 | |
| 481 | V | A | 0.0000 | |
| 482 | S | A | -0.8775 | |
| 483 | V | A | 0.0000 | |
| 484 | Q | A | -1.2330 | |
| 485 | I | A | 0.0000 | |
| 486 | D | A | -1.3184 | |
| 487 | W | A | 0.0000 | |
| 488 | E | A | -1.5753 | |
| 489 | I | A | 0.0000 | |
| 490 | Q | A | -1.8481 | |
| 491 | K | A | -2.1495 | |
| 492 | E | A | -2.1204 | |
| 493 | R | A | -2.8590 | |
| 494 | S | A | -2.1732 | |
| 495 | K | A | -2.3772 | |
| 496 | R | A | -1.7742 | |
| 497 | W | A | -0.3075 | |
| 498 | N | A | -1.1134 | |
| 499 | P | A | -0.5569 | |
| 500 | E | A | 0.0013 | |
| 501 | V | A | 1.1861 | |
| 502 | Q | A | 0.0589 | |
| 503 | F | A | 0.0000 | |
| 504 | T | A | -0.5011 | |
| 505 | S | A | -0.8737 | |
| 506 | N | A | -1.5277 | |
| 507 | Y | A | -0.8081 | |
| 508 | G | A | -1.3877 | |
| 509 | Q | A | -2.0081 | |
| 510 | Q | A | -1.6825 | |
| 511 | N | A | -1.6826 | |
| 512 | S | A | -0.4899 | |
| 513 | L | A | 0.8507 | |
| 514 | L | A | 0.6905 | |
| 515 | W | A | 0.3117 | |
| 516 | A | A | 0.1730 | |
| 517 | P | A | -0.7231 | |
| 518 | D | A | -1.1055 | |
| 519 | A | A | -0.7096 | |
| 520 | A | A | -0.8650 | |
| 521 | G | A | -1.4492 | |
| 522 | K | A | -2.2096 | |
| 523 | Y | A | -1.2063 | |
| 524 | T | A | -0.7992 | |
| 525 | E | A | -0.2243 | |
| 526 | P | A | -0.3919 | |
| 527 | R | A | -0.3919 | |
| 528 | A | A | -0.0669 | |
| 529 | I | A | 0.0000 | |
| 530 | G | A | -0.0803 | |
| 531 | T | A | 0.0000 | |
| 532 | R | A | 0.0000 | |
| 533 | Y | A | 0.4433 | |
| 534 | L | A | 0.0000 | |
| 535 | T | A | -0.2078 | |
| 536 | H | A | -1.1180 | |
| 537 | H | A | -0.6423 | |
| 538 | L | A | 0.5746 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.0854 | 4.454 | View | CSV | PDB |
| 4.5 | -0.1214 | 4.4545 | View | CSV | PDB |
| 5.0 | -0.1637 | 4.4559 | View | CSV | PDB |
| 5.5 | -0.2041 | 4.46 | View | CSV | PDB |
| 6.0 | -0.2348 | 4.471 | View | CSV | PDB |
| 6.5 | -0.2513 | 4.4945 | View | CSV | PDB |
| 7.0 | -0.2558 | 4.5316 | View | CSV | PDB |
| 7.5 | -0.2534 | 4.5774 | View | CSV | PDB |
| 8.0 | -0.247 | 4.627 | View | CSV | PDB |
| 8.5 | -0.2364 | 4.6778 | View | CSV | PDB |
| 9.0 | -0.22 | 4.7289 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine